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ScientificNameLabel
4-(1-hydroxyethyl)-benzaldehyde
PHCD compound ID : 5124
Chemical Names :
4-(1-hydroxyethyl)-benzaldehyde
Molecular Formula : C9H10O2
Molecular Weight : 150.06808
More Details :
Names & Synonyms: 4-(1-hydroxyethyl)benzaldehyde
Smiles: O=Cc1ccc(cc1)[C@H](O)C
InChi : InChI=1S/C9H10O2/c1-7(11)9-4-2-8(6-10)3-5-9/h2-7,11H,1H3/t7-/m1/s1
InChi Key : InChIKey=KPQCYFPPETYXOG-SSDOTTSWSA-N
PubChem ID : 556220
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.879027
Hydrogen bond donor count : 1 Electric dipole moment : 4.903
XLogP : 0.1 VDW volume : 147.99848
Molecular weight : 150.06808 HOMO-LUMO gap : 9.251000
Herb list :
Refrences & Litretures:
  
812.      Journal:'Journal of Food Composition and Analysis'      Year:'2005'      Volume:'18'      Page:'439'      DOI:'10.1016/j.jfca.2004.01.003'      Title:'Supercritical ?uid extraction of volatile components from Bunium persicum Boiss. (black cumin) and Mespilus germanica L. (medlar) seeds'
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